1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide

C23H25N5O2 — CID 56934717

IUPAC1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide
SMILESCCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(OC)cc3)n2)c2ccccc21
InChIInChI=1S/C23H25N5O2/c1-3-12-27-15-19(18-6-4-5-7-21(18)27)20-13-22(23(29)25-24)28(26-20)14-16-8-10-17(30-2)11-9-16/h4-11,13,15H,3,12,14,24H2,1-2H3,(H,25,29)
InChIKeySEOYKDBDZUPTAW-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.58
Rot. Bonds7

About 1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide

1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide (PubChem CID 56934717) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide
PubChem CID56934717
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide
SMILESCCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(OC)cc3)n2)c2ccccc21
InChIInChI=1S/C23H25N5O2/c1-3-12-27-15-19(18-6-4-5-7-21(18)27)20-13-22(23(29)25-24)28(26-20)14-16-8-10-17(30-2)11-9-16/h4-11,13,15H,3,12,14,24H2,1-2H3,(H,25,29)
InChIKeySEOYKDBDZUPTAW-UHFFFAOYSA-N
XLogP3.58
TPSA87.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide (CID 56934717) is 1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide is CCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(OC)cc3)n2)c2ccccc21.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide?
The InChIKey is SEOYKDBDZUPTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-3-12-27-15-19(18-6-4-5-7-21(18)27)20-13-22(23(29)25-24)28(26-20)14-16-8-10-17(30-2)11-9-16/h4-11,13,15H,3,12,14,24H2,1-2H3,(H,25,29).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide?
1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide has a molecular weight of 403.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide is sourced from PubChem (CID 56934717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).